2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide

C19H21N5OS — CID 16584135

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(Nc3nc(C)c(C)s3)nc2C)cc1
InChIInChI=1S/C19H21N5OS/c1-5-14-6-8-15(9-7-14)23-17(25)16-10-20-18(21-12(16)3)24-19-22-11(2)13(4)26-19/h6-10H,5H2,1-4H3,(H,23,25)(H,20,21,22,24)
InChIKeyNRQBPGUZQCZHGL-UHFFFAOYSA-N
MW367.48 g/mol
LogP4.42
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide

2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 16584135) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide
PubChem CID16584135
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(Nc3nc(C)c(C)s3)nc2C)cc1
InChIInChI=1S/C19H21N5OS/c1-5-14-6-8-15(9-7-14)23-17(25)16-10-20-18(21-12(16)3)24-19-22-11(2)13(4)26-19/h6-10H,5H2,1-4H3,(H,23,25)(H,20,21,22,24)
InChIKeyNRQBPGUZQCZHGL-UHFFFAOYSA-N
XLogP4.42
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide (CID 16584135) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide is CCc1ccc(NC(=O)c2cnc(Nc3nc(C)c(C)s3)nc2C)cc1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is NRQBPGUZQCZHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-5-14-6-8-15(9-7-14)23-17(25)16-10-20-18(21-12(16)3)24-19-22-11(2)13(4)26-19/h6-10H,5H2,1-4H3,(H,23,25)(H,20,21,22,24).
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 16584135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).